=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2bb4P1 PRO   6 HA     0.00  -0.08   0.19  -0.51   4.44     4.04
2bb4P1 PRO   6 HB2    0.00  -0.02  -0.12  -0.04   2.28     2.10
2bb4P1 PRO   6 HB3    0.00  -0.02   0.03  -0.04   2.02     1.99
2bb4P1 PRO   6 HG2    0.00  -0.00   0.01  -0.04   2.03     2.00
2bb4P1 PRO   6 HG3    0.00   0.00   0.03  -0.04   2.03     2.02
2bb4P1 PRO   6 HD2    0.00  -0.00   0.07  -0.04   3.68     3.71
2bb4P1 PRO   6 HD3    0.00   0.00   0.04  -0.04   3.65     3.65
2bb4P1 ILE   7 H      0.00   0.10   0.00  -0.55   8.25     7.80
2bb4P1 ILE   7 HA     0.00   0.30   0.81  -0.75   4.18     4.53
2bb4P1 ILE   7 HB     0.00   0.02   0.04  -0.04   1.89     1.91
2bb4P1 ILE   7 HG12   0.00   0.01  -0.05  -0.04   1.49     1.41
2bb4P1 ILE   7 HG13   0.00  -0.02   0.06  -0.04   1.21     1.21
2bb4P1 ILE   7 HG23   0.00   0.01  -0.19  -0.04   0.93     0.71
2bb4P1 ILE   7 HD13   0.00   0.01   0.00  -0.04   0.88     0.85